%chk=000225081.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225081

0 1
S 1.157454 0.814936 -0.797239
O 3.139490 -1.577828 -0.913349
O -0.512039 -0.478587 1.579076
O 4.472285 0.227576 -0.992443
N 4.089347 0.113926 1.928995
C 2.993319 -0.155306 0.972486
C 1.964013 0.967821 0.815242
C 0.197549 -0.708555 -0.665965
C -0.838758 -0.513188 0.409960
C -2.264288 -0.391277 -0.016071
C 3.645275 -0.405842 -0.389625
C -2.630844 0.344599 -1.151311
C -3.249940 -1.012196 0.766849
C -3.977963 0.444274 -1.509424
C -4.594372 -0.918268 0.399057
C -4.958209 -0.191009 -0.739161
H 2.473650 -1.101388 1.310152
H 1.219091 0.935887 1.641981
H 2.425911 1.975636 0.834953
H -0.228362 -0.924691 -1.665658
H 0.861006 -1.574138 -0.434465
H 3.729878 0.240561 2.870341
H 4.619881 0.944172 1.673183
H -1.872763 0.853629 -1.748067
H -2.959299 -1.561056 1.665313
H -4.264549 1.019742 -2.388633
H -5.358525 -1.405898 1.002883
H -6.007485 -0.115241 -1.024093
H 3.529949 -1.800090 -1.799767


%chk=000225081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225081

0 1
S 0.985964 0.820614 -1.173562
O 3.793185 -1.361225 -1.000808
O -0.340062 -1.377916 1.205228
O 4.793843 0.624995 -0.329627
N 3.458826 0.019928 2.185767
C 2.809545 -0.194461 0.889863
C 1.783102 0.926191 0.549551
C 0.211873 -0.922732 -1.092912
C -0.766208 -0.990036 0.069942
C -2.194431 -0.571634 -0.113362
C 3.899677 -0.235564 -0.180307
C -2.676991 0.021116 -1.312067
C -3.096733 -0.786539 0.965562
C -4.034820 0.385960 -1.428573
C -4.452881 -0.426973 0.845722
C -4.926039 0.160058 -0.353243
H 2.287584 -1.163254 0.915756
H 0.982919 0.922421 1.308243
H 2.283389 1.911147 0.540375
H -0.253435 -1.059268 -2.080734
H 1.021285 -1.655244 -0.959057
H 2.895596 -0.191326 3.009446
H 4.051470 0.850054 2.253514
H -1.995292 0.223751 -2.144155
H -2.705588 -1.240071 1.882312
H -4.398094 0.850186 -2.351706
H -5.142024 -0.601913 1.678979
H -5.980777 0.441670 -0.447813
H 4.505822 -1.331734 -1.697133


